Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)

Chemical Information

molecular Image
InChI InChI=1S/C19H13BrO5/c1-24-16-8-12(14(20)9-17(16)25-2)19(23)13-7-15(21)10-5-3-4-6-11(10)18(13)22/h3-9H,1-2H3
SMILES COc1cc(c(cc1OC)Br)C(=O)C1=CC(=O)c2c(C1=O)cccc2
InChI Key LQLVWTVLQDYZPH-UHFFFAOYSA-N
Molecular Formula C19H13BrO5
Exact Mass 401.208 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LQLVWTVLQDYZPH-UHFFFAOYSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/LQLVWTVLQDYZPH-UHFFFAOYSA-N/CHMO0000563
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-05-07
Related Molecule
  • 2-(2-bromo-4,5-dimethoxybenzoyl)naphthalene-1,4-dione
    • Field Value
    Measurement Technique fast-atom bombardment mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    146035843 PubChem
    UYUFAY CCDC
    The data in this table is sourced from UniChem at EBI.